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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Translocator protein' and Ligand = 'BDBM50509037'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Translocator protein


(Homo sapiens (Human))
BDBM50509037
PNG
(CHEMBL4560218)
Show SMILES COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(ccc23)-c2ccccc2)c1
Show InChI InChI=1S/C29H26N2O2/c1-30(19-21-9-8-12-24(17-21)33-2)29(32)20-31-27-14-7-6-13-25(27)26-18-23(15-16-28(26)31)22-10-4-3-5-11-22/h3-18H,19-20H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
208n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509037
PNG
(CHEMBL4560218)
Show SMILES COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(ccc23)-c2ccccc2)c1
Show InChI InChI=1S/C29H26N2O2/c1-30(19-21-9-8-12-24(17-21)33-2)29(32)20-31-27-14-7-6-13-25(27)26-18-23(15-16-28(26)31)22-10-4-3-5-11-22/h3-18H,19-20H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
231n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
BindingDB Entry DOI: 10.7270/Q2SN0D8V
More data for this
Ligand-Target Pair